Registration Dossier
Registration Dossier
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EC number: 604-582-2 | CAS number: 1472-93-1
Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Remarks:
- estimated by calculation
- Adequacy of study:
- supporting study
- Study period:
- 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: US EPA Method
- Justification for type of information:
- SOFTWARE:
US EPA. Estimation Programs Interface Suite (EpiSuite) v4.11
MODEL (incl. version number):
AOPWIN v1.92
SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL:
COC(=O)CCCCCCCCCCCCCCCCC(=O)OC
ADEQUACY OF THE RESULT:
Results considered sufficient as supporting information in e-fate assessment. - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- AOPWIN estimates the rate constant for the atmospheric, gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals. It also estimates the rate constant for the gas-phase reaction between ozone and olefinic/acetylenic compounds. The rate constants estimated by the program are then used to calculate atmospheric half-lives for organic compounds based upon average atmospheric concentrations of hydroxyl radicals and ozone.
The estimation methods are based upon the structure-activity relationship (SAR) methods and are described in Meylan, W.M. and Howard, P.H. 1993. Computer estimation of the atmospheric gas-phase reaction rate of organic compounds with hydroxyl radicals and ozone. Chemosphere 26: 2293-99. - GLP compliance:
- no
- Estimation method (if used):
- AOPWIN v1.92 Computer Model
- DT50:
- 6.1 h
- Conclusions:
- Using the standard model within EPISuite v4.11 (AOPWIN v1.92), the hydroxyl radical-mediated atmospheric photo-oxidation half-life of octadecanedioic acid, 1,18-dimethyl ester (ODDAME) that volatilizes into air is predicted to be 6.1 hours. The predicted overall OH Rate Constant is 20.9301 E-12 cm3/molecule-sec.
Reference
OVERALL OH Rate Constant: 20.9301 E-12 cm3/molecule-sec
HALF-LIFE: 0.511 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE: 6.132 Hrs
****** NO OZONE REACTION ESTIMATION ******
(ONLY Olefins and Acetylenes are Estimated)
Description of key information
The hydroxyl radical-mediated atmospheric photo-oxidation half-life of octadecanedioic acid, 1,18-dimethyl ester
(ODDAME) that volatilizes into air is predicted to be 6.1 hours.
Key value for chemical safety assessment
- Half-life in air:
- 6.1 h
- Degradation rate constant with OH radicals:
- 0 cm³ molecule-1 s-1
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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